Glycoside
...
GD022342

Name:
None

Formula:
C56H62O11N3ClS

Smiles:
CN(CCCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1)C(=O)Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C5=[N+](CCC4OC3CCN12)c1ccc(S(=O)(=O)[O-])cc1C5(C)C

Aglycone:
CN(CCCCOc1ccc(Cc2ccccc2Cl)cc1)C(=O)Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C5=[N+](CCC4OC3CCN12)c1ccc(S(=O)(=O)[O-])cc1C5(C)C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 10
HBD: 4 FractionCSP3: 0.45
AlogP: 6.14 Num_rotatable_bonds: 13
MolWt: 1008.63 Num_heavy_atoms: 71
TPSA: 192.37 NumAromaticRings: 4

Unique Aglycone
AD15161
Formula: C50H52O6N3ClS

Smiles:
CN(CCCCOc1ccc(Cc2ccccc2Cl)cc1)C(=O)Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C5=[N+](CCC4OC3CCN12)c1ccc(S(=O)(=O)[O-])cc1C5(C)C
HBA: 9 RingCount: 9
HBD: 0 FractionCSP3: 0.39
AlogP: 8.62 Num_rotatable_bonds: 11
MolWt: 846.49 Num_heavy_atoms: 60
TPSA: 102.22 NumAromaticRings: 4

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O